Opuntine B

AlkaPlorer ID: AK046493

Synonym: 3-[(4-Hydroxyphenyl)methyl]-1-phenyl-1H-pyrrole-2,5-dione, 2-(4-Hydroxybenzyl)-N-phenylmaleimide 

IUPAC Name: 3-[(4-hydroxyphenyl)methyl]-1-phenylpyrrole-2,5-dione

Structure

SMILES: O=C1C=C(CC2=CC=C(O)C=C2)C(=O)N1C1=CC=CC=C1

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InChI: InChI=1S/C17H13NO3/c19-15-8-6-12(7-9-15)10-13-11-16(20)18(17(13)21)14-4-2-1-3-5-14/h1-9,11,19H,10H2

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InChIKey: CFZCXOHSIKIJGY-UHFFFAOYSA-N

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Reference

PubChem CID: 12088673

CAS: 850008-92-3

SuperNatural Ⅲ: SN0044714

COCONUT: CNP0216705

Properties Information

Molecule Weight: 279.295

TPSA: 57.61

MolLogP: 2.4345

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information